Geometry & MOs

Info

ID:	252257
PubChem CID:	103110122
Reduced:	IOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	264.231397
ΔH_f, kcal/mol:	20.46
Dipole, Da:	4.8
IP(EA), eV:	-8.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-2-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=CSC(=C2)I

DOS

IR

Vibrations